5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

C27H23Cl2N5 — CID 66805955

IUPAC5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+
InChIKeyGOXCTJHVJNLWPS-QFMPWRQOSA-N
MW488.42 g/mol
LogP7.19
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 66805955) has the molecular formula C27H23Cl2N5 and a molecular weight of 488.42 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID66805955
Molecular FormulaC27H23Cl2N5
Molecular Weight488.42 g/mol
Exact Mass487.13
IUPAC Name5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
SMILESCc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C
InChIInChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+
InChIKeyGOXCTJHVJNLWPS-QFMPWRQOSA-N
XLogP7.19
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6,7-Dichloro-2-methylquinoxaline
CID 899993
5-(4-chlorophenyl)-3-[4-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine;hydrochloride
CID 118721515
5-(4-chlorophenyl)-3-[3-(dimethylamino)propylimino]-N-pyridin-3-ylphenazin-2-amine
CID 118721517
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dichlorophenyl)pyridin-3-amine
CID 145953427
5-(4-chlorophenyl)-3-[4-(dimethylamino)butylimino]-N-pyridin-3-ylphenazin-2-amine
CID 164616047
5-(4-chlorophenyl)-N-pyridin-3-yl-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
CID 164616665
7,8-Dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
CID 164627477
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 53377578
5-(4-chlorophenyl)-3-(2-morpholin-4-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
CID 56592451
Piperazine, 1-(3-amino-4-pyridyl)-4-(3,4-dichlorophenyl)-
CID 98552
N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031789
5-(4-chlorophenyl)-3-(2-piperidin-1-ylethylimino)-N-pyridin-3-ylphenazin-2-amine
CID 164610793

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (CID 66805955) is 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C(C)C.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is GOXCTJHVJNLWPS-QFMPWRQOSA-N. The full InChI is InChI=1S/C27H23Cl2N5/c1-16(2)31-24-15-27-25(14-23(24)32-21-8-6-12-30-17(21)3)33-22-7-4-5-9-26(22)34(27)18-10-11-19(28)20(29)13-18/h4-16,32H,1-3H3/b31-24+.
What are the key properties of 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?
5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 488.42 g/mol, XLogP of 7.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 66805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).